Information card for entry 7245814

Structure parameters

• Formula: C24 H34 N3 O11 Pr
• Calculated formula: C24 H34 N3 O11 Pr
• Title of publication: A reversible pressure-induced bond rearrangement of flexible lanthanide 2,5-bis(allyloxy)terephthalate coordination polymer networks
• Authors of publication: Hunter, L. R.; Sellars, J. D.; Probert, M. R.
• Journal of publication: CrystEngComm
• Year of publication: 2022
• a: 9.8826 ± 0.0009 Å
• b: 11.1554 ± 0.001 Å
• c: 13.9347 ± 0.0012 Å
• α: 109.747 ± 0.003°
• β: 95.52 ± 0.002°
• γ: 96.847 ± 0.002°
• Cell volume: 1420.2 ± 0.2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0307
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.0818
• Weighted residual factors for all reflections included in the refinement: 0.0819
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No